7-chloro-N-{2-[cyclohexyl(methyl)amino]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-{2-[cyclohexyl(methyl)amino]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-{2-[cyclohexyl(methyl)amino]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0205 |
| Compound Name: | 7-chloro-N-{2-[cyclohexyl(methyl)amino]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 453.02 |
| Molecular Formula: | C21 H25 Cl N2 O3 S2 |
| Smiles: | CN(CCNC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0461 |
| logD: | 2.8239 |
| logSw: | -4.4432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.724 |
| InChI Key: | JRFFAYGFTLGJOL-UHFFFAOYSA-N |